AG00FE25

73799-63-0 | 3-Benzyl-3-azabicyclo[3.1.0]hexane-2,4-dione

AG00FE25

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CAS Number	73799-63-0
Catalog Number	AG00FE25(AGN-PC-00HORZ)
Chemical Name	3-Benzyl-3-azabicyclo[3.1.0]hexane-2,4-dione
IUPAC Name	3-benzyl-3-azabicyclo[3.1.0]hexane-2,4-dione
InChI	InChI=1S/C12H11NO2/c14-11-9-6-10(9)12(15)13(11)7-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2
InChI Key	JEISWFNRNZRSHM-UHFFFAOYSA-N
MDL Number	MFCD00158669
Molecular Formula	C12H11NO2
Molecular Weight	201.2212
SMILES	O=C1C2CC2C(=O)N1CC1=CC=CC=C1
Synonyms	3-benzyl-3-azabicyclo[3.1.0]hexane-2,4-dione, 73799-63-0, 3-benzyl-3-azabicyclo(3.1.0)hexane-2,4-dione, benzylazabicyclohexanedione, AC1MCA19, SCHEMBL1023519, CTK7H1709, KS-00001AGU, DTXSID50377512, JEISWFNRNZRSHM-UHFFFAOYSA-N, 1459AC, ANW-55146, MFCD00158669, SBB092763, AKOS005073491, MCULE-5272730469, MS-5003, RP11762, AM804299, EN000782, TR-065285, C-4070, 3-benzyl-3-aza-bicyclo[3.1.0]hexane-2,4-dione, 3-(Benzyl)-3-azabicyclo(3.1.0)hexan-2,4-dione, 3-(benzyl)-3-azabicyclo(3.1.0)hexane-2,4-dione, J-511756, C12H11NO2, ZINC03086198, CID2764586,

Complexity	287
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	201.079g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	201.225g/mol
Monoisotopic Mass	201.079g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.4A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number